Compound Detail
CHEMBL167985
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Basic Information
| ChEMBL ID | CHEMBL167985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIYKPJVEMCGNEK-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
2.69
ALogP
5
HBA
2
HBD
75.1
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 7.7 | 7.54 | 20.0 | 2 |
| Adenosine receptor A3 CHEMBL256 | Ki | 5.72 | 5.645 | 1900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 20.0 | nM | 7.7 | Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical... | 11262085 |
| Adenosine receptor A1 | Ki | = | 42.0 | nM | 7.38 | Displacement of [3H]DPCPX binding to adenosine A1 receptor of rat brain cortical... | 11262085 |
| Adenosine receptor A3 | Ki | = | 1900.0 | nM | 5.72 | Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK ... | 11262085 |
| Adenosine receptor A3 | Ki | = | 2700.0 | nM | 5.57 | Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK ... | 11262085 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11262085 | 10.1021/jm0003945 | Adenosine receptor A1 | 2 |
| 11262085 | 10.1021/jm0003945 | Adenosine receptor A2a | 2 |
| 11262085 | 10.1021/jm0003945 | Adenosine receptor A3 | 2 |
Data from ChEMBL 36 via Core Engine